4-[(5-pyrazin-2-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methylamino]benzoic acid

Systemtic Name: 4-[(5-pyrazin-2-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methylamino]benzoic acid Openeye Name: 4-[(5-pyrazin-2-yl-2-thioxo-1,3,4-oxadiazol-3-yl)methylamino]benzoic acid CAS Name: 4-[[5-(2-pyrazinyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoic acid IUPAC Name: 4-[(5-pyrazin-2-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methylamino]benzoic acid Traditional Name: 4-[(5-pyrazin-2-yl-2-thioxo-1,3,4-oxadiazol-3-yl)methylamino]benzoic acid Formula: C14H11N5O3S MolecularWeight: 329.33384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCN2C(=S)OC(=N2)C3=NC=CN=C3

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCN2C(=S)OC(=N2)C3=NC=CN=C3

InChI

InChI=1S/C14H11N5O3S/c20-13(21)9-1-3-10(4-2-9)17-8-19-14(23)22-12(18-19)11-7-15-5-6-16-11/h1-7,17H,8H2,(H,20,21)